(2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one

C15H14N2O — CID 146232196

IUPAC(2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one
SMILESC=C/C(=C\N=C\C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H14N2O/c1-3-11(9-16-4-2)15(18)13-10-17-14-8-6-5-7-12(13)14/h3-10,17H,1H2,2H3/b11-9+,16-4+
InChIKeyFWSKGXJCOACVLL-SAPDUPTDSA-N
MW238.29 g/mol
LogP3.51
Rot. Bonds4

About (2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one

(2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one (PubChem CID 146232196) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one.

Molecular Properties

Compound Name(2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one
PubChem CID146232196
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one
SMILESC=C/C(=C\N=C\C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H14N2O/c1-3-11(9-16-4-2)15(18)13-10-17-14-8-6-5-7-12(13)14/h3-10,17H,1H2,2H3/b11-9+,16-4+
InChIKeyFWSKGXJCOACVLL-SAPDUPTDSA-N
XLogP3.51
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
N-oxo-1H-indole-3-carboxamide
CID 88522766
prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 15093890
(3E,5E)-6-(1H-indol-3-yl)-5-methylhepta-3,5-dien-2-one
CID 23427115
N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide
CID 84573298
N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide
CID 18884826
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
sodium 1H-indole-3-carboxylate
CID 23698293
ethane;methyl 1H-indole-3-carboxylate
CID 143850313

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one?
The IUPAC name of (2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one (CID 146232196) is (2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one.
What is the SMILES notation for (2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one?
The canonical SMILES for (2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one is C=C/C(=C\N=C\C)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one?
The InChIKey is FWSKGXJCOACVLL-SAPDUPTDSA-N. The full InChI is InChI=1S/C15H14N2O/c1-3-11(9-16-4-2)15(18)13-10-17-14-8-6-5-7-12(13)14/h3-10,17H,1H2,2H3/b11-9+,16-4+.
What are the key properties of (2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one?
(2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one has a molecular weight of 238.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one is sourced from PubChem (CID 146232196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).